国家/地区 China（8）
关键词 DENSITY FUNCTIONAL THEORY（8）
出版物 APPLIED SURFACE SCIENCE（8）
出版时间 2022（8）
机构
作者

Multiple hydrogen bonds enhancing formaldehyde adsorption on functionalized zigzag graphene nanoribbons

APPLIED SURFACE SCIENCE

HE MM, LIU XQ, LI MJ, YANG Y, CHEN ZQ, JIANG WD, TANG HM, RAYMOND O

Prediction of functionalized graphene as potential catalysts for overall water splitting

APPLIED SURFACE SCIENCE

CAO SQ, LIU YY, BO TT, XU RX, MU N, ZHOU W

Interface engineering of GeP/Graphene/BiVO4 heterostructure for photocatalytic Application: A computational study

APPLIED SURFACE SCIENCE

ZHANG ZY, ZHU ZH

Adsorption of NO2 and CO molecules on Ni (111) supported defective Graphene: A DFT study

APPLIED SURFACE SCIENCE

GAO L, ZHENG M, ZHOU X

Coordination environment engineering of graphene-supported single/dual-Pd-site catalysts improves the electrocatalytic ORR activity

APPLIED SURFACE SCIENCE

WANG XW, GUO LL, XIE Z, PENG XK, YU XF, YANG XJ, LU ZM, ZHANG XH, LI LL

Single-atom iron on penta-graphene assisted with non-bonding interaction as superior demercurizer: A DFT exploration

APPLIED SURFACE SCIENCE

LIU XS, WANG R, HUANG TF, GENG XZ, XU YF, CHEN C, WU CC, DING XL, DUAN YF

Formic acid dehydrogenation over Pd single atom or cluster supported on nitrogen-doped graphene: A DFT study

APPLIED SURFACE SCIENCE

LIU C, BING QM, LIU JY

Theoretical insights into multi-metal atoms embedded nitrogen-doped graphene as efficient bifunctional catalysts for oxygen reduction and evolution reactions

APPLIED SURFACE SCIENCE

MA CC, FENG JG, XIA CH, DU CG, CHEN X, PANG BL, DONG HZ, YU LY, DONG LF